N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine

C16H22FN3 — CID 131922365

IUPACN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine
SMILESCCC(C)CCNCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H22FN3/c1-3-13(2)7-9-18-12-14-11-15(17)5-6-16(14)20-10-4-8-19-20/h4-6,8,10-11,13,18H,3,7,9,12H2,1-2H3
InChIKeyDPQNVIHEHHTDFX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.54
Rot. Bonds7

About N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine (PubChem CID 131922365) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine
PubChem CID131922365
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine
SMILESCCC(C)CCNCc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C16H22FN3/c1-3-13(2)7-9-18-12-14-11-15(17)5-6-16(14)20-10-4-8-19-20/h4-6,8,10-11,13,18H,3,7,9,12H2,1-2H3
InChIKeyDPQNVIHEHHTDFX-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
CID 170865603
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
N-[[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 54909608
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63070206
2-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 91832688
(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42196033

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine (CID 131922365) is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine is CCC(C)CCNCc1cc(F)ccc1-n1cccn1.
What is the InChIKey of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine?
The InChIKey is DPQNVIHEHHTDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-13(2)7-9-18-12-14-11-15(17)5-6-16(14)20-10-4-8-19-20/h4-6,8,10-11,13,18H,3,7,9,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine?
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-methylpentan-1-amine is sourced from PubChem (CID 131922365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).